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MAYBRIDGE-ZINC00140774

MMsINC code: MMs02139454

Type: Neutral
Formula: C17H11ClFNO3
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)c1ccccc1O
InChI:   InChI=1/C17H11ClFNO3/c1-9-14(17(22)10-5-2-3-8-13(10)21)16(20-23-9)15-11(18)6-4-7-12(15)19/h2-8,21H,1H3

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Potential Energy
Epot(MMFF94)=91.9721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.73 g/mol  logS: -5.47993  SlogP: 4.37912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.318577  Sterimol/B1: 2.57546  Sterimol/B2: 3.96051  Sterimol/B3: 4.8004
  Sterimol/B4: 8.34628  Sterimol/L: 11.2889 
 
 Surface and Volume Properties
  Accessible surface: 512.584  Positive charged surface: 231.159  Negative charged surface: 281.425  Volume: 284.75
  Hydrophobic surface: 437.266  Hydrophilic surface: 75.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.